[2-(cyclopropylmethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] methanesulfonate

Systemtic Name: [2-(cyclopropylmethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] methanesulfonate Openeye Name: [2-(cyclopropylmethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(cyclopropylmethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl] ester IUPAC Name: [2-(cyclopropylmethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(cyclopropylmethyl)-3-keto-6-(4-mesylphenyl)-5-methyl-pyridazin-4-yl] ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3CC3)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3CC3)OS(=O)(=O)C

InChI

InChI=1S/C17H20N2O6S2/c1-11-15(13-6-8-14(9-7-13)26(2,21)22)18-19(10-12-4-5-12)17(20)16(11)25-27(3,23)24/h6-9,12H,4-5,10H2,1-3H3